Basic information
- CAS
59554-42-6- Standard SMILES
COc1ccc(S(N)(=O)=O)c(C)c1- InChIKey
DNKWKPATOPAAND-UHFFFAOYSA-N- Molecular formula
- C8H11NO3S
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.04596439
Names & identifiers
- Preferred name
- 4-Methoxy-2-methylbenzenesulfonamide
- IUPAC
- 4-methoxy-2-methylbenzenesulfonamide
- English name
- 4-methoxy-2-methylbenzene-1-sulfonamide
- Molecular formula
- C8H11NO3S
- Molecular weight
- 201.24
Names & synonyms
4-methoxy-2-methylbenzenesulfonamide4-methoxy-2-methylbenzene-1-sulfonamideDTXSID70295128RefChem:524543DTXCID20246266839-981-259554-42-6NSC998224-methoxy-2-methyl-benzenesulfonamideSCHEMBL1804729SCHEMBL29575651JCA55442
Show more names
Benzenesulfonamide, 4-methoxy-2-methyl-
GS0916NSC 99822NSC-99822AKOS010294919SB78080DB-138635CS-0223359EN300-114921
Database identifiers
- CAS
59554-42-6- PubChem CID
- 264648
- DTXSID
DTXSID70295128- EC Number
- 839-981-2
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 175 · 175-176 °C
- Boiling point
- 370.2 · 370.2±52.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- pka
- 10.35 · 10.35±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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